1-ethynyl-2-prop-1-ynylcyclopentene

C10H10 — CID 11297985

IUPAC1-ethynyl-2-prop-1-ynylcyclopentene
SMILESC#CC1=C(C#CC)CCC1
InChIInChI=1S/C10H10/c1-3-6-10-8-5-7-9(10)4-2/h2H,5,7-8H2,1H3
InChIKeyBZHGKOLYYAFZEJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.12
Rot. Bonds

About 1-ethynyl-2-prop-1-ynylcyclopentene

1-ethynyl-2-prop-1-ynylcyclopentene (PubChem CID 11297985) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-ethynyl-2-prop-1-ynylcyclopentene.

Molecular Properties

Compound Name1-ethynyl-2-prop-1-ynylcyclopentene
PubChem CID11297985
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1-ethynyl-2-prop-1-ynylcyclopentene
SMILESC#CC1=C(C#CC)CCC1
InChIInChI=1S/C10H10/c1-3-6-10-8-5-7-9(10)4-2/h2H,5,7-8H2,1H3
InChIKeyBZHGKOLYYAFZEJ-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethynyl-2-prop-1-ynylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-prop-1-ynylcyclopentene?
The IUPAC name of 1-ethynyl-2-prop-1-ynylcyclopentene (CID 11297985) is 1-ethynyl-2-prop-1-ynylcyclopentene.
What is the SMILES notation for 1-ethynyl-2-prop-1-ynylcyclopentene?
The canonical SMILES for 1-ethynyl-2-prop-1-ynylcyclopentene is C#CC1=C(C#CC)CCC1.
What is the InChIKey of 1-ethynyl-2-prop-1-ynylcyclopentene?
The InChIKey is BZHGKOLYYAFZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-3-6-10-8-5-7-9(10)4-2/h2H,5,7-8H2,1H3.
What are the key properties of 1-ethynyl-2-prop-1-ynylcyclopentene?
1-ethynyl-2-prop-1-ynylcyclopentene has a molecular weight of 130.19 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-prop-1-ynylcyclopentene is sourced from PubChem (CID 11297985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).